ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002671
RECORD_TITLE: METHYL 2-HYDROXYOCTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-HYDROXYOCTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₃
CH$EXACT_MASS: 314.28210
CH$SMILES: CCCCCCCCCCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18,20H,3-17H2,1-2H3
CH$LINK: INCHIKEY OUFCLLRNNJZLOX-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9210000000-ead1180360b9ad57ac2f
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  31 3.9 39
  32 99.99 999
  40 6.6 66
  43 4.9 49
  44 2.6 26
  45 1.6 16
  55 5.7 57
  56 0.3 3
  57 49.7 497
  58 2 20
  66 3 30
  67 0.59 6
  68 12.5 125
  69 24.5 245
  70 5.1 51
  71 3.78 38
  72 3 30
  74 3.4 34
  76 2 20
  81 1.27 13
  82 26.7 267
  83 48.1 481
  84 9.2 92
  85 2.97 30
  86 2.2 22
  87 4.8 48
  90 42.8 428
  91 0.21 2
  95 16.2 162
  96 19.1 191
  97 61.2 612
  98 1.32 13
  99 10.5 105
  100 1.5 15
  103 13.4 134
  104 0.18 2
  108 2.6 26
  109 10 100
  110 7.5 75
  111 3.68 37
  112 5.1 51
  113 12.6 126
  114 3.8 38
  123 0.56 6
  124 4.4 44
  125 19.4 194
  126 3 30
  127 1.29 13
  132 1.2 12
  137 4.2 42
  138 4.7 47
  139 0.83 8
  140 1.7 17
  141 3.9 39
  145 1.02 10
  150 1.7 17
  151 1.9 19
  152 1.6 16
  153 0.39 4
  154 1.3 13
  155 2.5 25
  156 2.3 23
  159 0.3 3
  166 1.4 14
  208 1.4 14
  210 1.6 16
  251 3.5 35
  253 36.8 368
  254 7.3 73
  255 4.06 41
  256 6.6 66
  269 2.3 23
  315 0.8 8
//